On Mon, Nov 07, 2011, Ben Roberts wrote:
>
> So then, what (if anything) is to be done, and who's to do it? That
> seems to me to be the crucial question. Do we try to answer it on the
> list, or wait until January?
Seems to me Yong is doing it:
commit e7290894585886f8af70a7f64363139b6bdf4a35
Author: Yong Duan <duan.ucdavis.edu>
Date: Sun Nov 6 01:10:21 2011 -0700
Changes to accommodate
scee/scnb in both amber and glycam formats
cmap,
dipole damping factor (Thole model),
moved IPOL to parmxx.dat/frcmod.dat
added brief help information
added "showdefault" command.
MengJuei Hsieh did most of the work.
Arunima Singh (UGA) coded scee/scnb for glycam.
modified: amber.c
modified: atom.c
modified: atom.h
modified: basics.c
modified: build.c
new file: cmap.h
modified: commands.c
modified: defaults.h
modified: helptext.text
modified: model.c
modified: parmSet.c
modified: parmSet.h
modified: tools.c
modified: unitio.c
modified: xaAtomParmTable.c
modified: xaImproperParmTable.c
modified: xaTorsionParmTable.c
But maybe (probably) I don't understand the question being asked here.
...dac
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Received on Mon Nov 07 2011 - 12:00:04 PST
